UCSF

ZINC11937858

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 0.87 -9.42 1 4 0 49 385.442 2
Lo Low (pH 4.5-6) 3.53 1.3 -35.74 2 4 1 50 386.45 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )